4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole

C21H21N5O — CID 59472498

IUPAC4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
SMILESCOc1cc(-c2cn(CCc3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H21N5O/c1-16-13-25(15-22-16)20-9-8-18(12-21(20)27-2)19-14-26(24-23-19)11-10-17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3
InChIKeyVRWZCKLHAGBLSO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.69
Rot. Bonds6

About 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole

4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole (PubChem CID 59472498) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole.

Molecular Properties

Compound Name4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
PubChem CID59472498
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
SMILESCOc1cc(-c2cn(CCc3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H21N5O/c1-16-13-25(15-22-16)20-9-8-18(12-21(20)27-2)19-14-26(24-23-19)11-10-17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3
InChIKeyVRWZCKLHAGBLSO-UHFFFAOYSA-N
XLogP3.69
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
CID 59472591
4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 59472479
1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-2-one
CID 59472614
2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134132506
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 59472728
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]ethanone
CID 59472771
(3S,5S)-1-benzyl-5-tert-butyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]azepan-2-one
CID 70687533
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5-phenylazepane
CID 59472541
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822
[2-[4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazol-4-yl] 2,2,2-trifluoroacetate
CID 140553073

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole?
The IUPAC name of 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole (CID 59472498) is 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole.
What is the SMILES notation for 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole?
The canonical SMILES for 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole is COc1cc(-c2cn(CCc3ccccc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole?
The InChIKey is VRWZCKLHAGBLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-16-13-25(15-22-16)20-9-8-18(12-21(20)27-2)19-14-26(24-23-19)11-10-17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3.
What are the key properties of 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole?
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole has a molecular weight of 359.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole is sourced from PubChem (CID 59472498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).